Identification of 15d-PGJ2 as an antagonist of farnesoid X receptor: Molecular modeling with biological evaluation

Steroids

Volumn 78, Issue 9, 2013, Pages 813-822

  Xu, Xing ^a   Lu, Yin ^a   Chen, Lili ^a   Chen, Jing ^a   Luo, Xiaomin ^a   Shen, Xu ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

Antagonist; Farnesoid X receptor; Molecular dynamics simulation

Indexed keywords

15 DEOXY DELTA12,14 PROSTAGLANDIN J2; BILE SALT; CHOLESTEROL 7ALPHA MONOOXYGENASE; FARNESOID X RECEPTOR; FARNESOID X RECEPTOR ALPHA; GLUCOSE; HORMONE RECEPTOR; LIPID; LUCIFERASE; MESSENGER RNA; UNCLASSIFIED DRUG; 15-DEOXYPROSTAGLANDIN J2; ABC TRANSPORTER; ABCB11 PROTEIN, HUMAN; CELL RECEPTOR; CHOLESTEROL; CYP7A1 PROTEIN, HUMAN; FARNESOID X-ACTIVATED RECEPTOR; PROSTAGLANDIN D2; PROTEIN BINDING; 15 DEOXYPROSTAGLANDIN J2; ARACHIDONIC ACID; CELL NUCLEUS RECEPTOR; CHENODEOXYCHOLIC ACID; DIMETHYL SULFOXIDE; DITHIOTHREITOL; DRUG DERIVATIVE; FETAL BOVINE SERUM; GUGGULSTERONE; LIVER X RECEPTOR; ROSIGLITAZONE;

ARTICLE; BILE ACID METABOLISM; BIOLOGICAL ACTIVITY; CELL STRAIN HEPG2; CONTROLLED STUDY; DRUG IDENTIFICATION; DRUG INTERACTION; DRUG RECEPTOR BINDING; EMBRYO; FLUORESCENCE; GENE EXPRESSION; GLUCOSE HOMEOSTASIS; HUMAN; HUMAN CELL; LIGAND BINDING; METABOLIC REGULATION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; REPORTER GENE; SITE DIRECTED MUTAGENESIS; STIMULATION; SURFACE PLASMON RESONANCE; AMINO ACID SUBSTITUTION; ANALOGS AND DERIVATIVES; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; DRUG EFFECTS; GENETICS; HEK293 CELL LINE; HEPG2 CELL LINE; METABOLISM; TRANSCRIPTION INITIATION; 15-DEOXY-Δ(12,14)-PGJ(2); 15-DEOXY-Δ(12,14)PGJ(2); 15D-PGJ(2); 50% INHIBITORY CONCENTRATION; 6Α-ETHYL-CHENODEOXYCHOLIC ACID; 6-ECDCA; AA; AF-2; ANTAGONIST; BILE-SALT EXPORT PUMP; BSEP; CDCA; CELL STRAIN HEK293; CHOLESTEROL 7A-HYDROXYLASE; DITHIOTHRETIOL; DMEM; DRUG ANTAGONISM; DRUG EFFECT; DULBECCO'S MODIFIED EAGLE'S MEDIUM; EXTRACELLULAR SIGNAL-REGULATED KINASE; FBS; FLUORESCENCE QUENCHING; FQ; FXR; FXR ELEMENTS; FXRE; GS; HOMO TIME-RESOLVED FLUORESCENCE; HTRF; IΚB KINASE (IKK), ERK; IC(50); INDUCIBLE NO SYNTHASE; INOS; IPTG; ISOPROPYL Β-D-THIOGALACTOSIDE; K(D); K(OFF); K(ON); KEAP1; KELCH-LIKE ECH-ASSOCIATED PROTEIN 1; LBD; LIGAND BINDING DOMAIN; LXR; MD; NR; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Γ; PGD(2); PGH(2); PHOPHOLIPASE A(2); PLA(2); PPARΑ; PPARΓ; PROLIFERATOR-ACTIVATED RECEPTOR Α; PROSTAGLANDIN D(2); PROSTAGLANDIN H(2); PROTEIN BINDING; RESPONSE UNITS; RETINOID X RECEPTOR Α; ROS; RUS; RXRΑ; SPR; THE ASSOCIATION RATE CONSTANTS; THE DISSOCIATION RATE CONSTANTS; THE EQUILIBRIUM DISSOCIATION CONSTANT; TNF-Α; TRANSACTIVATION FUNCTION 2 DOMAIN; TUMOR NECROSIS FACTOR Α;

AMINO ACID SUBSTITUTION; ATP-BINDING CASSETTE TRANSPORTERS; BINDING SITES; CHOLESTEROL; CHOLESTEROL 7-ALPHA-HYDROXYLASE; GENE EXPRESSION; HEK293 CELLS; HEP G2 CELLS; HUMANS; MOLECULAR DOCKING SIMULATION; PROSTAGLANDIN D2; PROTEIN BINDING; RECEPTORS, CYTOPLASMIC AND NUCLEAR; SURFACE PLASMON RESONANCE; TRANSCRIPTIONAL ACTIVATION;

15-DEOXY-Δ(12,14)-PGJ(2); 15-DEOXY-Δ(12,14)PGJ(2); 15D-PGJ(2); 50% INHIBITORY CONCENTRATION; 6Α-ETHYL-CHENODEOXYCHOLIC ACID; 6-ECDCA; AA; AF-2; ANTAGONIST; ARACHIDONIC ACID; BILE-SALT EXPORT PUMP; BSEP; CDCA; CHENODEOXYCHOLIC ACID; CHOLESTEROL 7A-HYDROXYLASE; CYP7A1; DIMETHYL SULFOXIDE; DITHIOTHRETIOL; DMEM; DMSO; DTT; DULBECCO'S MODIFIED EAGLE'S MEDIUM; EXTRACELLULAR SIGNAL-REGULATED KINASE; FARNESOID X RECEPTOR; FBS; FETAL BOVINE SERUM; FLUORESCENCE QUENCHING; FQ; FXR; FXR ELEMENTS; FXRE; GS; GUGGULSTERONE; HOMO TIME-RESOLVED FLUORESCENCE; HTRF; IΚB KINASE (IKK), ERK; IC(50); INDUCIBLE NO SYNTHASE; INOS; IPTG; ISOPROPYL Β-D-THIOGALACTOSIDE; K(D); K(OFF); K(ON); KEAP1; KELCH-LIKE ECH-ASSOCIATED PROTEIN 1; LBD; LIGAND BINDING DOMAIN; LIVER X RECEPTOR; LXR; MD; MOLECULAR DYNAMICS; MOLECULAR DYNAMICS SIMULATION; NR; NUCLEAR RECEPTOR; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Γ; PGD(2); PGH(2); PHOPHOLIPASE A(2); PLA(2); PPARΑ; PPARΓ; PROLIFERATOR-ACTIVATED RECEPTOR Α; PROSTAGLANDIN D(2); PROSTAGLANDIN H(2); RESPONSE UNITS; RETINOID X RECEPTOR Α; ROS; ROSIGLITAZONE; RUS; RXRΑ; SPR; SURFACE PLASMON RESONANCE; THE ASSOCIATION RATE CONSTANTS; THE DISSOCIATION RATE CONSTANTS; THE EQUILIBRIUM DISSOCIATION CONSTANT; TNF-Α; TRANSACTIVATION FUNCTION 2 DOMAIN; TUMOR NECROSIS FACTOR Α;

EID: 84884991556     PISSN: 0039128X     EISSN: 18785867     Source Type: Journal    
DOI: 10.1016/j.steroids.2013.04.018     Document Type: Article

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